SCHEMBL448875

SCHEMBL448875

CN(O)C(=O)CCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.77
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 1/20 0.59
MEN1 O00255 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 1/20 0.57
KEAP1 Q14145 1/20 0.57
FFAR1 O14842 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9877206 0.89 ALOX5 (0.63) ALOX5KMT2AMEN1FFAR1
SCHEMBL10695244 0.87 ALOX5 (1.00) ALOX5KMT2A
SCHEMBL3366949 0.86 KMT2A (0.70) ALOX5KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL9662985 0.85 ALOX5 (0.97) ALOX5KMT2A
Water SCHEMBL3678915 0.84 KMT2A (0.68) ALOX5KMT2AALDH1A1MEN1L3MBTL1
Hydrochloric Acid SCHEMBL3136984 0.84 KMT2A (0.68) ALOX5KMT2AALDH1A1MEN1L3MBTL1
Hydrochloric Acid SCHEMBL9130864 0.82 KMT2A (0.66) ALOX5KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL14219225 0.81 KMT2A (0.74) ALOX5KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL4064581 0.81 KMT2A (1.00) ALOX5KMT2AALDH1A1MEN1L3MBTL1
Hydrochloric Acid SCHEMBL6165650 0.81 KMT2A (0.64) ALOX5KMT2AALDH1A1MEN1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601245-A1 CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF Biofilm IP, LLC (US) 2013-06-12 EP claimed
CN-103154095-A Cyclosiloxane-substituted polysiloxane compounds, compositions containing the same, and methods of use thereof BIOFILM IP LLC 2013-06-12 CN claimed
CN-101326272-B Hydraulic fluid composition and method of making same COUNCIL SCIENT IND RES 2012-10-10 CN claimed
WO-2012018403-A1 CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF BIOFILM IP, LLC (US) 2012-02-09 WO claimed
CN-101326272-A Hydraulic fluid composition and method of making same COUNCIL SCIENT IND RES (IN) 2008-12-17 CN claimed
US-9175141-B2 Cyclosiloxane-substituted polysiloxane compounds, compositions containing the compounds and methods of use thereof BIOFILM IP, LLC (US) 2015-11-03 US disclosed
EP-2601245-A1 CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF Biofilm IP, LLC (US) 2013-06-12 EP disclosed
CN-103154095-A Cyclosiloxane-substituted polysiloxane compounds, compositions containing the same, and methods of use thereof BIOFILM IP LLC 2013-06-12 CN disclosed
CN-101326272-B Hydraulic fluid composition and method of making same COUNCIL SCIENT IND RES 2012-10-10 CN disclosed
US-20120064022-A1 CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF BIOFILM, INC. 2012-03-15 US disclosed
WO-2012018403-A1 CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF BIOFILM IP, LLC (US) 2012-02-09 WO disclosed
CN-101326272-A Hydraulic fluid composition and method of making same COUNCIL SCIENT IND RES (IN) 2008-12-17 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120064022-A1 CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF PIEZO1, DSC1, PFAS ALOX5 403/4885KMT2A 2286/4885ALDH1A1 4496/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.